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SCHEMBL4049829

SCHEMBL4049829

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2ccc(F)cc12)C(=O)NCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 3/20 0.43
▸ CNR1 P21554 8/20 0.43
▸ CNR2 P34972 6/20 0.39
▸ KDM4C Q9H3R0 3/20 0.37
▸ GRM4 Q14833 4/20 0.36
▸ HTR3A P46098 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A2 P11168 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13690962 1.00 ROCK1 (0.43) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL4056281 0.94 ROCK1 (0.43) ROCK1CNR1CNR2GRM4SLC2A1
SCHEMBL4048374 0.93 ROCK1 (0.44) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL13690924 0.93 ROCK1 (0.44) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL4055448 0.92 CNR1 (0.52) ROCK1CNR1CNR2KDM4C
SCHEMBL13691001 0.91 CNR1 (0.44) ROCK1CNR1CNR2KDM4C
SCHEMBL4052192 0.91 CNR1 (0.44) ROCK1CNR1CNR2KDM4C
SCHEMBL4055909 0.90 CNR1 (0.49) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL4058358 0.90 CNR1 (0.44) ROCK1CNR1CNR2KDM4CHTR3A
SCHEMBL4057153 0.90 ROCK1 (0.47) ROCK1CNR1CNR2KDM4CGRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO disclosed